(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-ethoxyphenoxy)butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-ethoxyphenoxy)butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-ethoxyphenoxy)butanoate CAS Name: 4-(2-ethoxyphenoxy)butanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-ethoxyphenoxy)butanoate Traditional Name: 4-(2-ethoxyphenoxy)butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H23NO8 MolecularWeight: 417.40922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C21H23NO8/c1-2-27-18-6-3-4-7-19(18)28-9-5-8-20(23)29-13-16-11-17(22(24)25)10-15-12-26-14-30-21(15)16/h3-4,6-7,10-11H,2,5,8-9,12-14H2,1H3